Information card for entry 2207145

Structure parameters

• Chemical name: Poly[(μ~6~-1,4-benzenedicarboxylato)hemi(μ~6~-succinato)gadolinium(III)]
• Formula: C20 H12 Gd2 O12
• Calculated formula: C20 H12 Gd2 O12
• SMILES: [Gd+3].[Gd+3].O=C(c1ccc(C(=O)[O-])cc1)[O-].O=C([O-])CCC(=O)[O-].C(=O)(c1ccc(C(=O)[O-])cc1)[O-]
• Title of publication: Poly[bis(μ~4~-1,4-benzenedicarboxylato)(μ~6~-succinato)digadolinium(III)]
• Authors of publication: Chun-Xiang Wang; Zhi-Feng Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2212 - m2213
• a: 13.9094 ± 0.0009 Å
• b: 6.8497 ± 0.0005 Å
• c: 21.8148 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2078.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes